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3-ALPHA,4-BETA-(25R)-5-ALPHA-SPIROSTAN
SpectraBase Compound ID 28rodQ8gP90
InChI InChI=1S/C31H48O6/c1-17-9-14-31(34-16-17)18(2)27-26(37-31)15-24-21-7-8-23-28(36-20(4)33)25(35-19(3)32)11-13-29(23,5)22(21)10-12-30(24,27)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18-,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+/m0/s1
InChIKey DBDIEQZAQHGHAJ-SSBQRHDWSA-N
Mol Weight 516.7 g/mol
Molecular Formula C31H48O6
Exact Mass 516.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LL0P6Fzdppw
Name 3-ALPHA,4-BETA-(25R)-5-ALPHA-SPIROSTAN
CAS Registry Number 61010-53-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O6
InChI InChI=1S/C31H48O6/c1-17-9-14-31(34-16-17)18(2)27-26(37-31)15-24-21-7-8-23-28(36-20(4)33)25(35-19(3)32)11-13-29(23,5)22(21)10-12-30(24,27)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18-,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+/m0/s1
InChIKey DBDIEQZAQHGHAJ-SSBQRHDWSA-N
Literature Reference Author C.L.VANANTWERP,H.EGGERT,G.D.MEAKINS,J.O.MINERS,C.DJERASSI
Literature Reference Citation J.ORG.CHEM.,42,789(1977)
Literature Reference DOI 10.1021/jo00425a005
Molecular Weight 516.719 g/mol
Solvent CDCl3
Source File Reference UNIW9716